Geometry & MOs

Info

ID:	221645
PubChem CID:	85285815
Reduced:	O5H36C38 (1)
Stoich.:	A5B36C38 (1)
Weight, g/mol:	572.288637
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	3.16
IP(EA), eV:	-9.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethyl-4-methylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C=CC(C(C(COCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations